4-[2-(4-methylphenyl)ethenyl]-6-[(E)-2-(4-methylphenyl)ethenyl]-2-prop-2-ynylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4-[2-(4-methylphenyl)ethenyl]-6-[(E)-2-(4-methylphenyl)ethenyl]-2-prop-2-ynylsulfanyl-pyridine-3-carbonitrile Openeye Name: 2-prop-2-ynylsulfanyl-4-[2-(p-tolyl)vinyl]-6-[(E)-2-(p-tolyl)vinyl]pyridine-3-carbonitrile CAS Name: 4-[2-(4-methylphenyl)ethenyl]-6-[(E)-2-(4-methylphenyl)ethenyl]-2-(prop-2-ynylthio)-3-pyridinecarbonitrile IUPAC Name: 4-[2-(4-methylphenyl)ethenyl]-6-[(E)-2-(4-methylphenyl)ethenyl]-2-prop-2-ynylsulfanylpyridine-3-carbonitrile Traditional Name: 2-(propargylthio)-4-[2-(p-tolyl)vinyl]-6-[(E)-2-(p-tolyl)vinyl]nicotinonitrile Formula: C27H22N2S MolecularWeight: 406.54198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC2=CC(=NC(=C2C#N)SCC#C)C=CC3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C=CC2=CC(=NC(=C2C#N)SCC#C)/C=C/C3=CC=C(C=C3)C

InChI

InChI=1S/C27H22N2S/c1-4-17-30-27-26(19-28)24(15-13-22-9-5-20(2)6-10-22)18-25(29-27)16-14-23-11-7-21(3)8-12-23/h1,5-16,18H,17H2,2-3H3/b15-13?,16-14+